2-[6-nitro-4-(pyridin-3-ylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzenecarbonitrile

Systemtic Name: 2-[6-nitro-4-(pyridin-3-ylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzenecarbonitrile Openeye Name: 2-[6-nitro-4-(3-pyridylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzonitrile CAS Name: 2-[6-nitro-4-(3-pyridinylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzonitrile IUPAC Name: 2-[6-nitro-4-(pyridin-3-ylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzonitrile Traditional Name: 2-[6-nitro-4-(3-pyridylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzonitrile Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(CN1CC2=CN=CC=C2)C3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(CN1CC2=CN=CC=C2)C3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O2/c17-8-14-5-1-2-6-15(14)21-12-20(11-16(19-21)22(23)24)10-13-4-3-7-18-9-13/h1-7,9H,10-12H2